4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C10H15F2N5O — CID 82009108

IUPAC4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C10H15F2N5O/c11-7(12)6-18-10-15-8(13)14-9(16-10)17-4-2-1-3-5-17/h7H,1-6H2,(H2,13,14,15,16)
InChIKeyPRFFOQVBWAQZRR-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.09
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 82009108) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID82009108
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C10H15F2N5O/c11-7(12)6-18-10-15-8(13)14-9(16-10)17-4-2-1-3-5-17/h7H,1-6H2,(H2,13,14,15,16)
InChIKeyPRFFOQVBWAQZRR-UHFFFAOYSA-N
XLogP1.09
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 82009108) is 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(OCC(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PRFFOQVBWAQZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O/c11-7(12)6-18-10-15-8(13)14-9(16-10)17-4-2-1-3-5-17/h7H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82009108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).